tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane

C72H118O2Si2 — CID 14035686

IUPACtert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane
SMILESC[C@H](CCC[C@H](C)CCC[C@@H](C)CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCC[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C72H118O2Si2/c1-59(33-27-35-61(3)39-31-43-65(7)55-57-73-75(71(9,10)11,67-45-19-15-20-46-67)68-47-21-16-22-48-68)37-29-41-63(5)53-54-64(6)42-30-38-60(2)34-28-36-62(4)40-32-44-66(8)56-58-74-76(72(12,13)14,69-49-23-17-24-50-69)70-51-25-18-26-52-70/h15-26,45-52,59-66H,27-44,53-58H2,1-14H3/t59-,60-,61+,62+,63+,64+,65+,66+/m0/s1
InChIKeyNXILDWDKUCOHCP-POFRMDIHSA-N
MW1071.91 g/mol
LogP19.81
Rot. Bonds39

About tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane

tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane (PubChem CID 14035686) has the molecular formula C72H118O2Si2 and a molecular weight of 1071.91 g/mol. Its IUPAC name is tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane
PubChem CID14035686
Molecular FormulaC72H118O2Si2
Molecular Weight1071.91 g/mol
Exact Mass1070.87
IUPAC Nametert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane
SMILESC[C@H](CCC[C@H](C)CCC[C@@H](C)CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCC[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C72H118O2Si2/c1-59(33-27-35-61(3)39-31-43-65(7)55-57-73-75(71(9,10)11,67-45-19-15-20-46-67)68-47-21-16-22-48-68)37-29-41-63(5)53-54-64(6)42-30-38-60(2)34-28-36-62(4)40-32-44-66(8)56-58-74-76(72(12,13)14,69-49-23-17-24-50-69)70-51-25-18-26-52-70/h15-26,45-52,59-66H,27-44,53-58H2,1-14H3/t59-,60-,61+,62+,63+,64+,65+,66+/m0/s1
InChIKeyNXILDWDKUCOHCP-POFRMDIHSA-N
XLogP19.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds39
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.91
LogP ≤ 519.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane (CID 14035686) is tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane is C[C@H](CCC[C@H](C)CCC[C@@H](C)CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCC[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane?
The InChIKey is NXILDWDKUCOHCP-POFRMDIHSA-N. The full InChI is InChI=1S/C72H118O2Si2/c1-59(33-27-35-61(3)39-31-43-65(7)55-57-73-75(71(9,10)11,67-45-19-15-20-46-67)68-47-21-16-22-48-68)37-29-41-63(5)53-54-64(6)42-30-38-60(2)34-28-36-62(4)40-32-44-66(8)56-58-74-76(72(12,13)14,69-49-23-17-24-50-69)70-51-25-18-26-52-70/h15-26,45-52,59-66H,27-44,53-58H2,1-14H3/t59-,60-,61+,62+,63+,64+,65+,66+/m0/s1.
What are the key properties of tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane?
tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane has a molecular weight of 1071.91 g/mol, XLogP of 19.81, 39 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,7R,11S,15R,18R,22S,26R,30R)-32-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-diphenylsilane is sourced from PubChem (CID 14035686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).